Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C28H26N2/c29-25-13-9-23(10-14-25)27-17-19-1-2-20-4-6-22(8-7-21(27)5-3-19)28(18-20)24-11-15-26(30)16-12-24/h3-6,9-18H,1-2,7-8,29-30H2
SMILES Nc1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)cc1c1ccc(cc1)N
InChI Key LMJFBGKXHFFBST-UHFFFAOYSA-N
Exact Mass 390.519 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LMJFBGKXHFFBST-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/LMJFBGKXHFFBST-UHFFFAOYSA-N/CHMO0000593
Version
Author Yuting Li
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-03-17
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
title : Jan25-2024

date : 20240125

starting time : 12.54 h

label : YTL-553

id : 291960

Solvent : chloroform-D1 (CDCl3)

temperature : 298.0 K

PULPROG : zg30

number of scans : 16 scans

instrument : Avance NEO

Data-Source Molecule ID Data-Source
177930831 pubchem
The data in this table is sourced from UniChem at EBI.